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Geometry for CH3NNCH3 ((E)-1,2-Dimethyldiazene) 1AG C2H

1910171554
InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/b4-3+ INChIKey=JCCAVOLDXDEODY-ONEGZZNKSA-N

MP3/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.3770 0.4955 0.0000   0.4286 0.4516 0.0000
N2 -0.3770 -0.4955 0.0000   -0.4286 -0.4516 0.0000
C3 -0.3770 1.7549 0.0000   1.7927 -0.0906 0.0000
C4 0.3770 -1.7549 0.0000   -1.7927 0.0906 0.0000
H5 -1.4571 1.5830 0.0000   1.7963 -1.1843 0.0000
H6 1.4571 -1.5830 0.0000   -1.7963 1.1843 0.0000
H7 -0.0767 2.3250 0.8841   2.3072 0.2973 0.8841
H8 -0.0767 2.3250 -0.8841   2.3072 0.2973 -0.8841
H9 0.0767 -2.3250 0.8841   -2.3072 -0.2973 0.8841
H10 0.0767 -2.3250 -0.8841   -2.3072 -0.2973 -0.8841
Atom - Atom Distances (Å)
  N1 N2 C3 C4 H5 H6 H7 H8 H9 H10
N1 1.2452 1.4679 2.2504 2.1323 2.3424 2.0820 2.0820 2.9710 2.9710
N2 1.2452 2.2504 1.4679 2.3424 2.1323 2.9710 2.9710 2.0820 2.0820
C3 1.4679 2.2504 3.5899 1.0937 3.8087 1.0940 1.0940 4.1992 4.1992
C4 2.2504 1.4679 3.5899 3.8087 1.0937 4.1992 4.1992 1.0940 1.0940
H5 2.1323 2.3424 1.0937 3.8087 4.3031 1.7993 1.7993 4.2904 4.2904
H6 2.3424 2.1323 3.8087 1.0937 4.3031 4.2904 4.2904 1.7993 1.7993
H7 2.0820 2.9710 1.0940 4.1992 1.7993 4.2904 1.7682 4.6525 4.9772
H8 2.0820 2.9710 1.0940 4.1992 1.7993 4.2904 1.7682 4.9772 4.6525
H9 2.9710 2.0820 4.1992 1.0940 4.2904 1.7993 4.6525 4.9772 1.7682
H10 2.9710 2.0820 4.1992 1.0940 4.2904 1.7993 4.9772 4.6525 1.7682
Maximum atom distance is 4.9772Å between atoms H7 and H10.
picture of (E)-1,2-Dimethyldiazene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 C4 111.822 N2 N1 C3 111.822
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 111.867 N1 C3 H7 107.824
N1 C3 H8 107.824 N2 C4 H6 111.867
N2 C4 H9 107.824 N2 C4 H10 107.824
H5 C3 H7 110.670 H5 C3 H8 110.670
H6 C4 H9 110.670 H6 C4 H10 110.670
H7 C3 H8 107.831 H9 C4 H10 107.831

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.